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2-[(4-nitrophenyl)carbamothioylamino]-4-oxidanylidene-1H-pyrimidine-6-carboxylic acid

2-[(4-nitrophenyl)carbamothioylamino]-4-oxidanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name:2-[(4-nitrophenyl)carbamothioylamino]-4-oxidanylidene-1H-pyrimidine-6-carboxylic acid
Openeye Name:2-[(4-nitrophenyl)carbamothioylamino]-4-oxo-1H-pyrimidine-6-carboxylic acid
CAS Name:2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name:2-[(4-nitrophenyl)carbamothioylamino]-4-oxo-1H-pyrimidine-6-carboxylic acid
Traditional Name:4-keto-2-[(4-nitrophenyl)thiocarbamoylamino]-1H-pyrimidine-6-carboxylic acid
Formula: C12H9N5O5S
MolecularWeight: 335.29536
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=NC(=O)C=C(N2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=NC(=O)C=C(N2)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C12H9N5O5S/c18-9-5-8(10(19)20)14-11(15-9)16-12(23)13-6-1-3-7(4-2-6)17(21)22/h1-5H,(H,19,20)(H3,13,14,15,16,18,23)


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